Efficient Characterization of Protein Cavities within Molecular Simulation Trajectories: trj_cavity.

Paramo, Teresa; East, Alexandra; Garzón, Diana; Ulmschneider, Martin B; Bond, Peter J.

Afiliação

Paramo T; Unilever Centre for Molecular Science Informatics, Department of Chemistry, University of Cambridge , Lensfield Road, Cambridge CB2 1EW, United Kingdom.
East A; Unilever Centre for Molecular Science Informatics, Department of Chemistry, University of Cambridge , Lensfield Road, Cambridge CB2 1EW, United Kingdom.
Garzón D; Unilever Centre for Molecular Science Informatics, Department of Chemistry, University of Cambridge , Lensfield Road, Cambridge CB2 1EW, United Kingdom.
Ulmschneider MB; Department of Materials Science and Engineering, Johns Hopkins University , Baltimore, Maryland 21218, United States.
Bond PJ; Unilever Centre for Molecular Science Informatics, Department of Chemistry, University of Cambridge , Lensfield Road, Cambridge CB2 1EW, United Kingdom.

J Chem Theory Comput ; 10(5): 2151-64, 2014 May 13.

Article em En | MEDLINE | ID: mdl-26580540

Texto completo: 1 Base de dados: MEDLINE Idioma: En Ano de publicação: 2014 Tipo de documento: Article

Texto completo: 1 Base de dados: MEDLINE Idioma: En Ano de publicação: 2014 Tipo de documento: Article